DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Cathepsin S
Ligand Name
N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IZBBHSKSQLPYHT-UHFFFAOYSA-N
SMILES
CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5QCE
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Color Legend
Unassigned regionsLigand / hetero atomse5qceA1e5qceB1
ECOD domains from experimental PDB structures interacting with ligand BJD
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P25774n/aBJD5qcee5qceA1A:0-219
P25774n/aBJD5qcee5qceB1B:1-221
P25774n/aBJD5qcfe5qcfA1A:1-220